pentyl N-(2-chloranyl-4-methyl-phenyl)-N'-[ethoxy(hexan-2-yloxy)phosphinothioyl]carbamimidothioate

Systemtic Name: pentyl N-(2-chloranyl-4-methyl-phenyl)-N'-[ethoxy(hexan-2-yloxy)phosphinothioyl]carbamimidothioate Openeye Name: 1-(2-chloro-4-methyl-phenyl)-3-[ethoxy(1-methylpentoxy)phosphinothioyl]-2-pentyl-isothiourea CAS Name: N-(2-chloro-4-methylphenyl)-N'-[ethoxy(hexan-2-yloxy)phosphinothioyl]carbamimidothioic acid pentyl ester IUPAC Name: pentyl N-(2-chloro-4-methylphenyl)-N'-[ethoxy(hexan-2-yloxy)phosphinothioyl]carbamimidothioate Traditional Name: 2-amyl-1-(2-chloro-4-methyl-phenyl)-3-[ethoxy(1-methylpentoxy)thiophosphoryl]isothiourea Formula: C21H36ClN2O2PS2 MolecularWeight: 479.079501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(=NP(=S)(OCC)OC(C)CCCC)NC1=C(C=C(C=C1)C)Cl

Isomeric SMILES

CCCCCS/C(=N\P(=S)(OCC)OC(C)CCCC)/NC1=C(C=C(C=C1)C)Cl

InChI

InChI=1S/C21H36ClN2O2PS2/c1-6-9-11-15-29-21(23-20-14-13-17(4)16-19(20)22)24-27(28,25-8-3)26-18(5)12-10-7-2/h13-14,16,18H,6-12,15H2,1-5H3,(H,23,24,28)